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2-Iodomelatonin

Cat No.:V40286 Purity: ≥98%
2-Iodomelatonin is a potent agonist of melatonin receptor 1 (MT1) with Ki of 28 pM and its selectivity for MT1 is more than 5 times that of MT2.
2-Iodomelatonin
2-Iodomelatonin Chemical Structure CAS No.: 93515-00-5
Product category: New2
This product is for research use only, not for human use. We do not sell to patients.
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Product Description
2-Iodomelatonin is a potent agonist of melatonin receptor 1 (MT1) with Ki of 28 pM and its selectivity for MT1 is more than 5 times that of MT2. 2-Iodomelatonin may be utilized to identify, characterize and localize melatonin binding sites in the brain and peripheral tissues.
Biological Activity I Assay Protocols (From Reference)
ln Vitro
2-iodomelatonin (0-7.5 μM; 18 hours) reduces the growth of Rip2 expression in stress-mutant htt ST14A cells and has the same protective effects as melatonin [2]. It also prevents cell death in mutant htt ST14A cells.
Cell Assay
Cell viability assay [2]
Cell Types: mutant htt ST14A Cell
Tested Concentrations: 0 μM; 1 μM; 5 μM; 7.5 μM
Incubation Duration: 18 hrs (hours)
Experimental Results: Inhibition of mutant htt ST14A cell death.
References

[1]. A murine IL-4 receptor antagonist that inhibits IL-4- and IL-13-induced responses prevents antigen-induced airway eosinophilia and airway hyperresponsiveness. J Immunol. 2001 May 1;166(9):5792-800.

[2]. The melatonin MT1 receptor axis modulates mutant Huntingtin-mediated toxicity.J Neurosci. 2011 Oct 12;31(41):14496-507.

Additional Infomation
N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide is a member of acetamides.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C13H15N2O2I
Molecular Weight
358.1744
Exact Mass
358.018
CAS #
93515-00-5
PubChem CID
115348
Appearance
Off-white to yellow solid powder
Density
1.63g/cm3
Boiling Point
574.5ºC at 760mmHg
Flash Point
301.3ºC
Index of Refraction
1.654
LogP
2.85
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
4
Heavy Atom Count
18
Complexity
301
Defined Atom Stereocenter Count
0
InChi Key
FJDDSMSDZHURBJ-UHFFFAOYSA-N
InChi Code
InChI=1S/C13H15IN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)
Chemical Name
N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide
HS Tariff Code
2934.99.9001
Storage

Powder      -20°C    3 years

                     4°C     2 years

In solvent   -80°C    6 months

                  -20°C    1 month

Shipping Condition
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
Solubility Data
Solubility (In Vitro)
DMF : 30 mg/mL (~83.76 mM)
DMSO : ~30 mg/mL (~83.76 mM)
Ethanol : ~20 mg/mL (~55.84 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.98 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 + to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL.
Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 2.7920 mL 13.9599 mL 27.9197 mL
5 mM 0.5584 mL 2.7920 mL 5.5839 mL
10 mM 0.2792 mL 1.3960 mL 2.7920 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.

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Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
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In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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Calculation results

Working concentration mg/mL;

Method for preparing DMSO stock solution mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.

Method for preparing in vivo formulation:Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O,mix and clarify.

(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
             (2) Be sure to add the solvent(s) in order.

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